2-[4-[2-[2-bromanyl-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]ethanoyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[2-[2-bromanyl-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]ethanoyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]acetyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-1-oxoethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]acetyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]acetyl]piperazino]benzonitrile Formula: C29H30BrN3O5 MolecularWeight: 580.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCOC1=CC(=C(C(=C1C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4C#N)Br)OCOC

Isomeric SMILES

COCOC1=CC(=C(C(=C1C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4C#N)Br)OCOC

InChI

InChI=1S/C29H30BrN3O5/c1-35-19-37-25-17-26(38-20-36-2)29(30)23(28(25)21-8-4-3-5-9-21)16-27(34)33-14-12-32(13-15-33)24-11-7-6-10-22(24)18-31/h3-11,17H,12-16,19-20H2,1-2H3